6KWE

Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	80
Detector technology	CCD
Collection date	2019-06-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	48.251, 59.113, 69.763
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.842 - 1.503
R-factor	0.1501
Rwork	0.149
R-free	0.16690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dfc
RMSD bond length	0.008
RMSD bond angle	0.988
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.842	1.557
High resolution limit [Å]	1.503	1.503
Rmerge	0.108	0.108
Number of reflections	32324	3121
<I/σ(I)>	12.65
Completeness [%]	99.5
Redundancy	2.67

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.5	291	PEG 8000, NaI, NaAc-HAc